ethyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H15ClN2O4S3 MolecularWeight: 430.9493

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H15ClN2O4S3/c1-3-19-11-6-5-10(15(20)23-4-2)9-12(11)24-16(19)18-26(21,22)14-8-7-13(17)25-14/h5-9H,3-4H2,1-2H3/b18-16-